phosphoric acid;propane-1,2,3-triol;sulfuric acid

C3H13O11PS — CID 158330502

IUPACphosphoric acid;propane-1,2,3-triol;sulfuric acid
SMILESO=P(O)(O)O.O=S(=O)(O)O.OCC(O)CO
InChIInChI=1S/C3H8O3.H3O4P.H2O4S/c4-1-3(6)2-5;2*1-5(2,3)4/h3-6H,1-2H2;(H3,1,2,3,4);(H2,1,2,3,4)
InChIKeyGPYFXWWDZADTOU-UHFFFAOYSA-N
MW288.17 g/mol
LogP-3.25
Rot. Bonds2

About phosphoric acid;propane-1,2,3-triol;sulfuric acid

phosphoric acid;propane-1,2,3-triol;sulfuric acid (PubChem CID 158330502) has the molecular formula C3H13O11PS and a molecular weight of 288.17 g/mol. Its IUPAC name is phosphoric acid;propane-1,2,3-triol;sulfuric acid.

Molecular Properties

Compound Namephosphoric acid;propane-1,2,3-triol;sulfuric acid
PubChem CID158330502
Molecular FormulaC3H13O11PS
Molecular Weight288.17 g/mol
Exact Mass287.99
IUPAC Namephosphoric acid;propane-1,2,3-triol;sulfuric acid
SMILESO=P(O)(O)O.O=S(=O)(O)O.OCC(O)CO
InChIInChI=1S/C3H8O3.H3O4P.H2O4S/c4-1-3(6)2-5;2*1-5(2,3)4/h3-6H,1-2H2;(H3,1,2,3,4);(H2,1,2,3,4)
InChIKeyGPYFXWWDZADTOU-UHFFFAOYSA-N
XLogP-3.25
TPSA213.05 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.17
LogP ≤ 5-3.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;propane-1,2,3-triol;sulfuric acid?
The IUPAC name of phosphoric acid;propane-1,2,3-triol;sulfuric acid (CID 158330502) is phosphoric acid;propane-1,2,3-triol;sulfuric acid.
What is the SMILES notation for phosphoric acid;propane-1,2,3-triol;sulfuric acid?
The canonical SMILES for phosphoric acid;propane-1,2,3-triol;sulfuric acid is O=P(O)(O)O.O=S(=O)(O)O.OCC(O)CO.
What is the InChIKey of phosphoric acid;propane-1,2,3-triol;sulfuric acid?
The InChIKey is GPYFXWWDZADTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.H3O4P.H2O4S/c4-1-3(6)2-5;2*1-5(2,3)4/h3-6H,1-2H2;(H3,1,2,3,4);(H2,1,2,3,4).
What are the key properties of phosphoric acid;propane-1,2,3-triol;sulfuric acid?
phosphoric acid;propane-1,2,3-triol;sulfuric acid has a molecular weight of 288.17 g/mol, XLogP of -3.25, 2 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;propane-1,2,3-triol;sulfuric acid is sourced from PubChem (CID 158330502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).